(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C16H23N3O2 — CID 104911223

IUPAC(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CN[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1
InChIInChI=1S/C16H23N3O2/c20-12-4-13(17-8-12)14-18-15(19-21-14)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,17,20H,1-8H2/t9?,10?,11?,12?,13-,16?/m0/s1
InChIKeyGTGFZUATAJHZDR-VSZIENKLSA-N
MW289.38 g/mol
LogP1.93
Rot. Bonds2

About (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911223) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911223
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CN[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1
InChIInChI=1S/C16H23N3O2/c20-12-4-13(17-8-12)14-18-15(19-21-14)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,17,20H,1-8H2/t9?,10?,11?,12?,13-,16?/m0/s1
InChIKeyGTGFZUATAJHZDR-VSZIENKLSA-N
XLogP1.93
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912280
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
(3S,5S)-5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912581
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350993
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
(3R,5R)-5-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912574
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911223) is (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1CN[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1.
What is the InChIKey of (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is GTGFZUATAJHZDR-VSZIENKLSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-12-4-13(17-8-12)14-18-15(19-21-14)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,17,20H,1-8H2/t9?,10?,11?,12?,13-,16?/m0/s1.
What are the key properties of (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 289.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).